SCHEMBL21344005

SCHEMBL21344005

O=C(O)c1c(C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RX7 Q99572 1/20 0.37
NOTUM Q6P988 2/20 0.36
RORC P51449 9/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
NR4A1 P22736 1/20 0.35

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
SCHEMBL17981548 0.82 RORC (0.39) NOTUMRORC
SCHEMBL15569786 0.81 RORC (0.46) DPP4ALDH1A1RORC
SCHEMBL17323526 0.78 CA12 (0.44) HSD17B10NOTUMRORC
2,3,6-Trichlorobenzoic Acid SCHEMBL29365114 0.75 DPP4 (0.62) DPP4TSHRKDM4EALDH1A1HSD17B10
2,3,6-Trichlorobenzoic Acid SCHEMBL117071 0.75 DPP4 (0.62) DPP4TSHRKDM4EALDH1A1HSD17B10
SCHEMBL15569264 0.75 TAS1R3 (0.47) ALDH1A1RORC
SCHEMBL15570366 0.75 TAS1R3 (0.47) ALDH1A1RORC
SCHEMBL15570286 0.74 TAS1R3 (0.46) RORC
2,3,6-Trichlorobenzoic Acid SCHEMBL10490012 0.73 DPP4 (0.60) DPP4TSHRKDM4EALDH1A1HSD17B10
SCHEMBL25080830 0.71 LMNA (0.41) P2RX7RORC

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
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2019-09-12 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-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA DPP4 3220/4885TSHR 944/4885KDM4E 3066/4885
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA DPP4 3220/4885TSHR 944/4885KDM4E 3066/4885

“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.