SCHEMBL4968828

SCHEMBL4968828

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 8/20 0.44
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4969646 0.86 POLB (0.61) POLBLMNACYP1A2CYP2C9CYP2C19
SCHEMBL4970642 0.85 MEN1 (0.43) POLBLMNAALDH1A1L3MBTL1MEN1
SCHEMBL4969562 0.73 TSHR (0.45) POLBLMNAALDH1A1TSHRL3MBTL1
SCHEMBL4968483 0.71 ALDH1A1 (0.66) POLBLMNACYP2C9CYP2C19ALDH1A1
SCHEMBL4970309 0.70 ALDH1A1 (0.48) POLBALDH1A1TSHRGAAL3MBTL1
SCHEMBL10358550 0.69 MEN1 (0.40) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4968655 0.68 MEN1 (0.57) LMNAALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1365891 0.68 P2RX4 (0.59) POLBLMNAALDH1A1TSHRMEN1
SCHEMBL3072283 0.68 P2RX4 (0.60) POLBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19527738 0.67 REN (0.44) POLBLMNACYP1A2CYP2C9CYP2C19

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 2 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

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 POLB 4733/4885LMNA 4136/4885CYP1A2 1140/4885

“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.