SCHEMBL10179719

SCHEMBL10179719

CCS(=O)(=O)c1ccccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.46
HSD11B1 P28845 3/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RBP4 P02753 1/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.38
PLCG1 P19174 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL16019344 0.83 PSIP1 (0.43) PSIP1HSD11B1ALDH1A1TDP1LMNA
SCHEMBL10181749 0.83 PSIP1 (0.43) PSIP1HSD11B1ALDH1A1LMNATP53
SCHEMBL10292998 0.83 KMT2A (0.53) PSIP1HSD11B1ALDH1A1RAB9AMEN1
SCHEMBL28680071 0.81 PSIP1 (0.59) PSIP1HSD11B1ALDH1A1TSHRLMNA
SCHEMBL10179991 0.80 HSD11B1 (0.45) HSD11B1ALDH1A1TSHRTDP1RBP4
SCHEMBL10180589 0.80 TSHR (0.54) ALDH1A1TSHRRBP4SMN1; SMN2CA2
SCHEMBL26424592 0.80 CA2 (0.42) PSIP1HSD11B1ALDH1A1TSHRTDP1
SCHEMBL9360088 0.79 HSD11B1 (0.54) HSD11B1ALDH1A1TSHRTDP1RBP4
SCHEMBL10180137 0.79 ALDH1A1 (0.46) PSIP1HSD11B1ALDH1A1TSHRTDP1
SCHEMBL7809492 0.77 HSD11B1 (0.45) HSD11B1ALDH1A1TSHRTDP1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-9765068-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20160368907-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-12-22 US disclosed
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 US disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-07-09 US disclosed
US-8940726-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-01-27 US disclosed
US-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-08-07 US disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP 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 (10 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-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 PSIP1 731/4885HSD11B1 3270/4885ALDH1A1 598/4885
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 PSIP1 1679/4885HSD11B1 2304/4885ALDH1A1 2460/4885
US-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 PSIP1 1679/4885HSD11B1 2304/4885ALDH1A1 2460/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 PSIP1 1524/4885HSD11B1 2213/4885ALDH1A1 2705/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 PSIP1 731/4885HSD11B1 3270/4885ALDH1A1 598/4885
US-20160368907-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 PSIP1 1679/4885HSD11B1 2304/4885ALDH1A1 2460/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 PSIP1 1790/4885HSD11B1 2375/4885ALDH1A1 2426/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 PSIP1 1171/4885HSD11B1 1609/4885ALDH1A1 1890/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 PSIP1 1112/4885HSD11B1 2750/4885ALDH1A1 3825/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 PSIP1 1524/4885HSD11B1 2213/4885ALDH1A1 2705/4885

“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.