SCHEMBL6274128

SCHEMBL6274128

CCS(=O)(=O)c1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
CYP2C9 P11712 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PDE7A Q13946 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
THRB P10828 1/20 0.40
RORC P51449 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
SCHEMBL7208834 0.88 PDE7A (0.42) MAPTHPGDSMN1; SMN2LMNACYP2C9
SCHEMBL4961573 0.88 PDE7A (0.42) MAPTHPGDSMN1; SMN2LMNACYP2C9
SCHEMBL4964933 0.87 CYP2C9 (0.43) MAPTHPGDSMN1; SMN2LMNACYP2C9
SCHEMBL6273901 0.87 ALDH1A1 (0.41) MAPTHPGDSMN1; SMN2LMNACYP2C9
SCHEMBL6268456 0.85 NR1H4 (0.45) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL4963123 0.82 HSPB1 (0.41) MAPTHPGDSMN1; SMN2LMNACYP2C9
SCHEMBL6660363 0.82 ALDH1A1 (0.57) HPGDSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL7039626 0.82 MEN1 (0.41) MAPTHPGDSMN1; SMN2LMNACYP2C9
SCHEMBL7042931 0.81 MEN1 (0.43) MAPTHPGDSMN1; SMN2LMNACYP2C9
SCHEMBL4961548 0.81 L3MBTL1 (0.52) SMN1; SMN2ALDH1A1NPSR1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1297833-B1 Indole carboxylic acids as thyroid receptor ligands PFIZER PROD INC (US) 2005-12-21 EP disclosed
US-6723744-B2 FOR THERAPY OF OBESITY, OVERWEIGHT CONDITION, HYPERLIPIDEMIA, GLAUCOMA, CARDIAC ARRHYTHMIAS, SKIN DISORDER, THYROID DISEASE, HYPOTHYROIDISM, THYROID CANCER, DIABETES, ATHEROSCLEROSIS, HYPERTENSION, CORONARY HEART DISEASE, HYPERCHOLESTEREMIA PFIZER, INC. 2004-04-20 US disclosed
US-20030078289-A1 Indole carboxylic acids as thyroid receptor ligands ASPNES GARY E (US) 2003-04-24 US disclosed
EP-1297833-A1 Indole carboxylic acids as thyroid receptor ligands Pfizer Products Inc. (US) 2003-04-02 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-20030078289-A1 Indole carboxylic acids as thyroid receptor ligands THRA, MC1R, THRB MAPT 2289/4885HPGD 2390/4885SMN1; SMN2 4883/4885

“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.