SCHEMBL8263183

SCHEMBL8263183

COCCOC(=O)c1ccc(Cl)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.50
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL31530752 0.83 TSHR (0.47) ESR1NPC1TSHRHPGDALDH1A1
SCHEMBL8263186 0.83 CA12 (0.56) ESR1ALDH1A1LMNACYP1A2RAB9A
SCHEMBL11681745 0.82 KDM4E (0.54) NPC1TSHRHPGDALDH1A1LMNA
SCHEMBL2196660 0.80 ALDH1A1 (0.58) NPC1TSHRHPGDALDH1A1LMNA
SCHEMBL22967354 0.79 KMT2A (0.53) NPC1TSHRHPGDALDH1A1CYP1A2
SCHEMBL9969969 0.78 TSHR (0.64) ESR1NPC1TSHRHPGDALDH1A1
SCHEMBL2648155 0.77 VCAM1 (0.57) NPC1HPGDALDH1A1LMNARAB9A
SCHEMBL18200292 0.77 TSHR (0.55) ESR1NPC1TSHRHPGDALDH1A1
SCHEMBL11776306 0.77 GAA (0.61) ESR1NPC1TSHRHPGDALDH1A1
SCHEMBL17798298 0.75 TSHR (0.61) TSHRALDH1A1LMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 — — EP disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 — — US disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 — — US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 — — US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 — — US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 — — US disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 — — WO 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-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 ESR1 1719/4885NPC1 593/4885TSHR 2510/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 ESR1 1719/4885NPC1 593/4885TSHR 2510/4885

“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.

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