SCHEMBL4969562

SCHEMBL4969562

COC(=O)CN1C(=S)C(C(C)C)Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL4968655 0.86 MEN1 (0.57) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4968213 0.86 MEN1 (0.43) MEN1KMT2AALDH1A1PKML3MBTL1
SCHEMBL10359000 0.82 POLB (0.38) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL10359001 0.82 POLB (0.38) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL4970321 0.77 MEN1 (0.50) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10665589 0.75 ALDH1A1 (0.43) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10358997 0.74 LMNA (0.48) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4969016 0.73 KMT2A (0.32) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL4968828 0.73 POLB (0.47) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10358699 0.72 HTT (0.43) TSHRMEN1KMT2AALDH1A1SMN1; SMN2

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
EP-0243018-B1 THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-10-24 EP disclosed
US-4771050-A ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 US disclosed
EP-0243018-A1 Thiolactam-N-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-10-28 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 TSHR 4003/4885MEN1 4288/4885KMT2A 1121/4885

“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.