SCHEMBL19974885

SCHEMBL19974885

CCC(NC(=O)c1cccnc1)C(=O)C(=O)NCC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.46
GPR132 Q9UNW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PREP P48147 2/20 0.44
FAP Q12884 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LDLR P01130 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
RORC P51449 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL19975577 0.87 CTSL (0.48) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL21176317 0.82 SMYD3 (0.44) SMN1; SMN2ROCK2MMP13
SCHEMBL19974726 0.81 CCR1 (0.47) ALDH1A1PKMSMN1; SMN2CTSLCTSB
SCHEMBL4179469 0.81 ALDH1A1 (0.62) ALDH1A1CYP2C9CYP2C19PKMSMN1; SMN2
SCHEMBL3429186 0.81 ALDH1A1 (0.62) ALDH1A1CYP2C9CYP2C19PKMSMN1; SMN2
SCHEMBL19975408 0.80 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8724758 0.78 CYP1A2 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6845923 0.77 F2RL1 (0.43) CTSLCTSBCTSSCTSK
SCHEMBL8221634 0.74 GPR132 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19GPR132
SCHEMBL5525510 0.74 CTSL (0.78) GPR132CTSLCTSBCTSSCTSK

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
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885CYP1A2 2641/4885CYP3A4 2207/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885CYP1A2 2420/4885CYP3A4 1986/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885CYP1A2 2641/4885CYP3A4 2207/4885

“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.