SCHEMBL7301257

SCHEMBL7301257

COC(=O)/C=C/c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
EGFR P00533 1/20 0.50
ALDH1A1 P00352 4/20 0.48
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL7301264 1.00 JAK2 (0.50) JAK2EGFRALDH1A1CA12CA1
SCHEMBL26932673 0.83 JAK2 (0.44) JAK2EGFRALDH1A1MAOAMAOB
SCHEMBL8213777 0.82 MAPT (0.58) JAK2EGFRALDH1A1CA12CA1
SCHEMBL8276819 0.82 MAPT (0.58) JAK2EGFRALDH1A1CA12CA1
SCHEMBL6970612 0.81 JAK2 (0.46) JAK2EGFRALDH1A1MAOAMAOB
SCHEMBL6970617 0.81 JAK2 (0.46) JAK2EGFRALDH1A1MAOAMAOB
SCHEMBL4573050 0.80 JAK2 (0.50) JAK2EGFRALDH1A1MAOAMAOB
SCHEMBL4573054 0.80 JAK2 (0.50) JAK2EGFRALDH1A1MAOAMAOB
SCHEMBL18250750 0.80 JAK2 (0.49) JAK2EGFRALDH1A1MAOAMAOB
SCHEMBL29722785 0.79 JAK2 (0.53) JAK2EGFRALDH1A1MAOAMAOB

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
CN-118878514-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2024-11-01 CN disclosed
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives MEDCURIUS INC. (CN) 2023-09-14 US disclosed
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives MEDCURIUS INC. (CN) 2023-09-14 US disclosed
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
WO-2021259143-A1 PHARMACEUTICAL USE OF (E)-3-ARYLHETEROCYCLYL PROP-2-ENOIC ACID DERIVATIVES 上海长车生物科技有限公司 2021-12-30 WO disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 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 (2 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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 JAK2 2505/4885EGFR 1640/4885ALDH1A1 2328/4885
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives NFE2L2, NFE2, TXNRD2 JAK2 992/4885EGFR 1438/4885ALDH1A1 653/4885

“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.