SCHEMBL1709958

SCHEMBL1709958

CCSCCNC(=O)CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
PHF8 Q9UPP1 5/20 0.41
KDM2A Q9Y2K7 5/20 0.41
KDM4E B2RXH2 4/20 0.41
KDM5C P41229 3/20 0.41
EGLN1 Q9GZT9 2/20 0.41
KDM6B O15054 1/20 0.40
FOLH1 Q04609 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
KDM7A Q6ZMT4 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ECE1 P42892 1/20 0.38
EPHX2 P34913 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL11436700 0.96 TSHR (0.50) TSHRPHF8KDM2AKDM4EKDM5C
SCHEMBL10081169 0.89 TSHR (0.60) TSHRKDM4EALDH1A1KMT2AHPGD
SCHEMBL18648724 0.87 TSHR (0.58) TSHRKDM4EALDH1A1KMT2AEPHX2
SCHEMBL22056519 0.81 TSHR (0.42) TSHRKDM4EALDH1A1KMT2APKM
SCHEMBL24329788 0.79 TSHR (0.52) TSHRPHF8KDM2AKDM4EKDM5C
SCHEMBL14241913 0.79 MEN1 (0.56) TSHRALDH1A1KMT2APKMHPGD
SCHEMBL20048669 0.79 FAAH (0.58) ALDH1A1HPGDEPHX2
SCHEMBL18629861 0.79 TSHR (0.43) TSHRPHF8KDM2AKDM4EKDM5C
SCHEMBL17860027 0.78 KMT2A (0.50) TSHRALDH1A1KMT2AHPGDLMNA
SCHEMBL6810784 0.78 PHF8 (0.60) PHF8KDM2AKDM4EKDM5CEGLN1

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-20170029469-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. 2017-02-02 US disclosed
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 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-20120088734-A1 Cyclosporin Analogs CHP1, TSLP, PPP3R1 TSHR 3291/4885PHF8 4351/4885KDM2A 4736/4885
US-20170029469-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 TSHR 3291/4885PHF8 4351/4885KDM2A 4736/4885

“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.