SCHEMBL8780852

SCHEMBL8780852

COc1ccc(CCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.53
ALDH1A1 P00352 4/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
HTT P42858 1/20 0.48
EGFR P00533 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.46
PSMD10 O75832 1/20 0.44
CALM1 P0DP23 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2333789 0.96 ALDH1A1 (0.51) FKBP1AALDH1A1BCHEACHEHTT
SCHEMBL6803332 0.91 ALDH1A1 (0.55) FKBP1AALDH1A1BCHEACHEHTT
SCHEMBL2567795 0.91 ALDH1A1 (0.47) FKBP1AALDH1A1SMN1; SMN2PSMD10CNR2
SCHEMBL18934371 0.91 ALDH1A1 (0.47) FKBP1AALDH1A1SMN1; SMN2PSMD10CNR2
SCHEMBL13649253 0.89 ENPP1 (0.52) FKBP1AALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL890360 0.88 PTGS2 (0.52) FKBP1AALDH1A1BCHEACHEHTT
SCHEMBL8710128 0.87 ALDH1A1 (0.51) FKBP1AALDH1A1BCHEACHEHTT
SCHEMBL18926560 0.87 GAA (0.50) FKBP1AALDH1A1BCHEACHEHTT
SCHEMBL20610741 0.86 F2RL1 (0.51) FKBP1AALDH1A1BCHEACHEHTT
SCHEMBL18926554 0.85 CA2 (0.53) ALDH1A1HTTSMN1; SMN2PSMD10CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561585-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS FOR USE IN THE TREATMENT, INHIBITION OF PROGRESSION, AND PREVENTION OF ECTOPIC CALCIFICATION Sanifit Therapeutics S.A. (ES) 2025-06-04 EP disclosed
EP-4562019-A1 IP5 SUBSTITUTED COMPOUNDS Sanifit Therapeutics S.A. (ES) 2025-06-04 EP disclosed
US-20240109924-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS VIFOR (INTERNATIONAL) LTD. (CH) 2024-04-04 US disclosed
WO-2024023359-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS FOR USE IN THE TREATMENT, INHIBITION OF PROGRESSION, AND PREVENTION OF ECTOPIC CALCIFICATION SANIFIT THERAPEUTICS, S.A. (ES) 2024-02-01 WO disclosed
WO-2024023360-A1 IP5 SUBSTITUTED COMPOUNDS SANIFIT THERAPEUTICS, S.A. (ES) 2024-02-01 WO disclosed
EP-4284809-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS Sanifit Therapeutics S.A. (ES) 2023-12-06 EP disclosed
WO-2022162206-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS SANIFIT THERAPEUTICS, S.A. (ES) 2022-08-04 WO disclosed
EP-4036097-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS Sanifit Therapeutics S.A. (ES) 2022-08-03 EP disclosed
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 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 (1 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-20240109924-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS IPO4, TPX2, IPO9 FKBP1A 2396/4885ALDH1A1 4700/4885BCHE 3813/4885

“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.