SCHEMBL20028545

SCHEMBL20028545

CCOC(=O)c1cn(C(F)F)nc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
MAPK1 P28482 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL2671684 0.87 ADORA3 (0.49) TSHRKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL20028548 0.85 TSHR (0.43) TSHRKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL8786300 0.82 TSHR (0.41) TSHRKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL21570206 0.82 TSHR (0.41) TSHRKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL4218259 0.80 KDM4E (0.48) TSHRKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL645580 0.80 TSHR (0.47) TSHRKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL22897188 0.78 FOS (0.43) TSHRKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3752495 0.77 TSHR (0.44) TSHRKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL15750534 0.77 ALDH1A1 (0.48) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL20028110 0.77 FOS (0.44) TSHRKDM4EALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS BLADE THERAPEUTICS INC (US) 2022-11-03 US disclosed
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
CN-112703188-A Method for treating liver fibrosis using calpain inhibitor 布莱德治疗公司 2021-04-23 CN disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
US-10894776-B2 2021-01-19 US disclosed
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 US disclosed
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 US disclosed
CN-112204014-A Calpain modulators and therapeutic uses thereof 布莱德治疗公司 2021-01-08 CN disclosed
US-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2020-04-23 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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 (7 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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 TSHR 4380/4885KDM4E 3495/4885ALDH1A1 4193/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 TSHR 4380/4885KDM4E 3495/4885ALDH1A1 4193/4885
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 TSHR 4690/4885KDM4E 2666/4885ALDH1A1 2718/4885
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 TSHR 4771/4885KDM4E 3635/4885ALDH1A1 4344/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 TSHR 4691/4885KDM4E 3117/4885ALDH1A1 4421/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 TSHR 4380/4885KDM4E 3495/4885ALDH1A1 4193/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 TSHR 4380/4885KDM4E 3495/4885ALDH1A1 4193/4885

“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.