SCHEMBL19407746

SCHEMBL19407746

CCOC(=S)Sc1ccc(OC)cc1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 8/20 0.38
▸ KDM4E B2RXH2 7/20 0.38
▸ HPGD P15428 6/20 0.38
▸ LMNA P02545 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 2/20 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
SCHEMBL19363992 0.80 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17782923 0.76 MAPT (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29009268 0.74 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9447234 0.73 SMN1; SMN2 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9846271 0.71 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14097986 0.71 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16009468 0.70 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10104754 0.70 ALDH1A1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16016935 0.70 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31643533 0.70 CYP3A4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230532-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2022-01-25 — — US disclosed
US-20200239421-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2020-07-30 — — US disclosed
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-05-26 — — US disclosed
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2019-02-21 — — US disclosed
WO-2017165255-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-28 — — WO 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 (4 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-11230532-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 HDAC3 4688/4885HDAC4 4526/4885HDAC1 4487/4885
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 HDAC3 4722/4885HDAC4 4546/4885HDAC1 4561/4885
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 HDAC3 4722/4885HDAC4 4546/4885HDAC1 4561/4885
US-20200239421-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 HDAC3 4688/4885HDAC4 4526/4885HDAC1 4487/4885

“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.

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