SCHEMBL10064216

SCHEMBL10064216

Cn1c(=O)sc2cc(C(C)(C)C)ccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.43
MAPT P10636 3/20 0.42
HTR1A P08908 5/20 0.41
HTR2C P28335 2/20 0.41
CYP19A1 P11511 1/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.38
ACHE P22303 1/20 0.38
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16939102 0.86 GPR55 (0.37) SIGMAR1MAPTHTR1AHTR2CCYP19A1
SCHEMBL21566579 0.84 MAPT (0.44) SIGMAR1MAPTHTR1AHTR2CCYP19A1
SCHEMBL13508872 0.77 KCNQ3 (0.40) MAPTTP53THRB
SCHEMBL4616475 0.77 MAPT (0.51) SIGMAR1MAPTHTR1AHTR2CCYP19A1
SCHEMBL745588 0.75 SIGMAR1 (0.48) SIGMAR1MAPTHTR1AHTR2CCYP19A1
SCHEMBL8281885 0.75 SIGMAR1 (0.45) SIGMAR1MAPTHTR1AHTR2CCYP19A1
SCHEMBL3035789 0.75 BRPF1 (0.47) SIGMAR1MAPTHTR1AHTR2CCYP19A1
SCHEMBL4615636 0.75 HTR1A (0.45) SIGMAR1MAPTHTR1AHTR2CCYP19A1
SCHEMBL4614580 0.75 SIGMAR1 (0.53) SIGMAR1MAPTHTR1AHTR2CCYP19A1
Hydrochloric Acid SCHEMBL7818310 0.74 BRPF1 (0.46) SIGMAR1MAPTHTR1AHTR2CCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793806-B2 Pyruvate kinase activators for use in therapy AGIOS PHARMACEUTICALS, INC. (US) 2023-10-24 US disclosed
US-11793806-B2 Pyruvate kinase activators for use in therapy AGIOS PHARMACEUTICALS, INC. (US) 2023-10-24 US disclosed
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20210220351-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. 2021-07-22 US disclosed
US-20210198206-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2021-07-01 US disclosed
US-10988448-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-20200289502-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. 2020-09-17 US disclosed
US-20160106742-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. 2016-04-21 US disclosed
US-9193701-B2 Pyruvate kinase activators for use in therapy AGIOS PHARMACEUTICALS, INC (US) 2015-11-24 US disclosed
US-9181231-B2 Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia AGIOS PHARMACEUTICALS, INC (US) 2015-11-10 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20140323467-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 US disclosed
US-8785450-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20140194402-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC (US) 2014-07-10 US disclosed
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC (US) 2014-06-26 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2010-12-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160106742-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 SIGMAR1 3121/4885MAPT 3114/4885HTR1A 4647/4885
US-11793806-B2 Pyruvate kinase activators for use in therapy PCK1, PDK3, PDK2 SIGMAR1 3121/4885MAPT 3114/4885HTR1A 4647/4885
US-20210220351-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 SIGMAR1 3121/4885MAPT 3114/4885HTR1A 4647/4885
US-10988448-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 SIGMAR1 3936/4885MAPT 2867/4885HTR1A 4695/4885
US-20200289502-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 SIGMAR1 3121/4885MAPT 3114/4885HTR1A 4647/4885
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA PCK1, PDK2, PFKP SIGMAR1 4303/4885MAPT 4344/4885HTR1A 4561/4885
US-20210198206-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 SIGMAR1 3936/4885MAPT 2867/4885HTR1A 4695/4885
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 SIGMAR1 3936/4885MAPT 2867/4885HTR1A 4695/4885
US-20140323467-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 SIGMAR1 3936/4885MAPT 2867/4885HTR1A 4695/4885
US-20140194402-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 SIGMAR1 3121/4885MAPT 3114/4885HTR1A 4647/4885
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 SIGMAR1 3433/4885MAPT 3834/4885HTR1A 4514/4885
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 SIGMAR1 1830/4885MAPT 3609/4885HTR1A 3784/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 SIGMAR1 1910/4885MAPT 3592/4885HTR1A 3641/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.