Sugi Predict

Sugi Predict / Compounds / SCHEMBL3197950

SCHEMBL3197950

SCHEMBL3197950

Cc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)ccc1F

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.76
▸ CYP3A4 P08684 1/20 0.76
▸ CYP2C19 P33261 1/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ USP2 O75604 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL3197962 1.00 TSHR (0.76) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3178993 0.91 L3MBTL1 (0.66) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3178986 0.91 L3MBTL1 (0.66) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3178547 0.86 TSHR (0.63) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3178534 0.86 TSHR (0.63) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3178771 0.86 TSHR (1.00) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3191561 0.86 TSHR (1.00) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3198569 0.82 TSHR (0.76) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3198561 0.82 TSHR (0.76) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3198062 0.82 TSHR (1.00) TSHRCYP3A4CYP2C19NPSR1L3MBTL1

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
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 — — US claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — 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 (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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 TSHR 133/4885CYP3A4 1124/4885CYP2C19 1702/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 TSHR 133/4885CYP3A4 1124/4885CYP2C19 1702/4885

“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.